-
2
-
-
0027624533
-
A new procedure for the determination of the free energies of solid-fluid interfaces from the anisotropy of wetting of a melt on its solid
-
Chatain D and Metois J J 1993 A new procedure for the determination of the free energies of solid-fluid interfaces from the anisotropy of wetting of a melt on its solid Surf. Sci. 291 113
-
(1993)
Surf. Sci.
, vol.291
, pp. 1-13
-
-
Chatain, D.1
Metois, J.J.2
-
3
-
-
36849136836
-
Formation of crystal nuclei in liquid metals
-
Turnbull D 1950 Formation of crystal nuclei in liquid metals J. Appl. Phys. 21 10228
-
(1950)
J. Appl. Phys.
, vol.21
, pp. 1022-1028
-
-
Turnbull, D.1
-
4
-
-
36849125432
-
Microscopic observation of the solidification of small metal droplets
-
Turnbull D and Cech R E 1950 Microscopic observation of the solidification of small metal droplets J. Appl. Phys. 21 80410
-
(1950)
J. Appl. Phys.
, vol.21
, pp. 804-810
-
-
Turnbull, D.1
Cech, R.E.2
-
5
-
-
0015983780
-
The free energies of solidliquid interfaces
-
Jones D R H 1974 The free energies of solidliquid interfaces J. Mater. Sci. 9 117
-
(1974)
J. Mater. Sci.
, vol.9
, pp. 1-17
-
-
Jones, D.R.H.1
-
6
-
-
80054108754
-
-
Angioletti-Uberti S 2010 Efficient atomistic approaches to thermodynamic quantities for solidliquid equilibria in alloys Phd Thesis
-
(2010)
Phd Thesis
-
-
Angioletti-Uberti, S.1
-
7
-
-
0018020908
-
Calculation of the crystal-melt interfacial free energy from experimental radial distribution function data
-
Waseda Y and Miller W 1978 Calculation of crystal-melt interfacial free-energy from experimental radial-distribution function data Trans. Japan Inst. Metals 19 54652 (Pubitemid 9410500)
-
(1978)
Trans Jpn Inst Met
, vol.19
, Issue.10
, pp. 546-552
-
-
Waseda, Y.1
Miller, W.A.2
-
9
-
-
84898889606
-
Long-range Finnis-Sinclair potentials
-
Sutton A P and Chen J 1990 Long-range Finnis-Sinclair potentials Phil. Mag. Lett. 61 13946
-
(1990)
Phil. Mag. Lett.
, vol.61
, pp. 139-146
-
-
Sutton, A.P.1
Chen, J.2
-
10
-
-
5844383856
-
Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys
-
Foiles S M, Baskes M I and Daw M S 1986 Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys Phys. Rev. B 33 798391
-
(1986)
Phys. Rev.
, vol.33
, pp. 7983-7991
-
-
Foiles, S.M.1
Baskes, M.I.2
Daw, M.S.3
-
11
-
-
34548567302
-
A comparison of crystal-melt interfacial free energies using different Al potentials
-
DOI 10.1016/j.jnoncrysol.2007.05.116, PII S0022309307006199, Liquid and Amorphous Metals XII Proceedings of the 12th International Conference on Liquid and Amorphous Metals
-
Morris J R, Mendelev M I and Srolovitz D J 2007 A comparison of crystal-melt interfacial free energies using different al potentials Liquid and Amorphous Metals XIIProc. 12th Int. Conf. on Liquid and Amorphous Metals; J. Non-Cryst. Solids 353 35659 (Pubitemid 47390822)
-
(2007)
Journal of Non-Crystalline Solids
, vol.353
, Issue.32-40
, pp. 3565-3569
-
-
Morris, J.R.1
Mendelev, M.I.2
Srolovitz, D.J.3
-
14
-
-
36849139523
-
Kinetics of solidification of supercooled liquid mercury droplets
-
Turnbull D 1952 Kinetics of solidification of supercooled liquid mercury droplets J. Chem. Phys. 20 41124
-
(1952)
J. Chem. Phys.
, vol.20
, pp. 411-424
-
-
Turnbull, D.1
-
15
-
-
34147162778
-
The effect of droplet size on surface tension
-
Tolman R C 1949 The effect of droplet size on surface tension J. Chem. Phys. 17 3337
-
(1949)
J. Chem. Phys.
, vol.17
, pp. 333-337
-
-
Tolman, R.C.1
-
16
-
-
0036533629
-
The solid-liquid interfacial energy of metals: Calculations versus measurements
-
PII S0167577X01005080
-
Jones H 2002 The solidliquid interfacial energy of metals: calculations versus measurements Mater. Lett. 53 3646 (Pubitemid 34201484)
-
(2002)
Materials Letters
, vol.53
, Issue.4-5
, pp. 364-366
-
-
Jones, H.1
-
17
-
-
0004541175
-
The size dependence of the melting point of small particles of tin
-
Wronski C R M 1967 The size dependence of the melting point of small particles of tin Br. J. Appl. Phys. 18 1731
-
(1967)
Br. J. Appl. Phys.
, vol.18
, pp. 1731
-
-
Wronski, C.R.M.1
-
18
-
-
0000178055
-
The melting of small particles of lead and indium
-
Coombes C J 1972 The melting of small particles of lead and indium J. Phys. F: Met. Phys. 2 441
-
(1972)
J. Phys. F: Met. Phys.
, vol.2
, pp. 441
-
-
Coombes, C.J.1
-
19
-
-
51149203433
-
Lattice relaxation at a metal surface
-
Gupta R P 1981 Lattice relaxation at a metal surface Phys. Rev. B 23 626570
-
(1981)
Phys. Rev.
, vol.23
, pp. 6265-6270
-
-
Gupta, R.P.1
-
20
-
-
30944436511
-
Tight-binding potentials for transition metals and alloys
-
Cleri F and Rosato V 1993 Tight-binding potentials for transition metals and alloys Phys. Rev. B 48 2233
-
(1993)
Phys. Rev.
, vol.48
, pp. 22-33
-
-
Cleri, F.1
Rosato, V.2
-
21
-
-
33751183544
-
Thermodynamic properties at constant volume around the solidliquid phase transition in single metals by using molecular dynamics
-
Moroyoqui-Estrella G, Urrutia-Bauelos E and Garibay-Alonso R 2007 Thermodynamic properties at constant volume around the solidliquid phase transition in single metals by using molecular dynamics Physica A 374 17986
-
(2007)
Physica
, vol.374
, pp. 179-186
-
-
Moroyoqui-Estrella, G.1
Urrutia-Bauelos, E.2
Garibay-Alonso, R.3
-
22
-
-
0032058053
-
Development of Finnis-Sinclair type potentials for Pb, Pb-Bi, and Pb-Ni systems: Application to surface segregation
-
PII S1359645497004965
-
Landa A, Wynblatt P, Girshick A, Vitek V, Ruban A and Skriver H 1998 Development of Finnis-Sinclair type potentials for Pb, PbBi, and PbNi systems: application to surface segregation Acta Mater. 46 302732 (Pubitemid 128422776)
-
(1998)
Acta Materialia
, vol.46
, Issue.9
, pp. 3027-3032
-
-
Landa, A.1
Wynblatt, P.2
Girshick, A.3
Vitek, V.4
Ruban, A.5
Skriver, H.6
-
26
-
-
59149089908
-
Langevin equation with colored noise for constant-temperature molecular dynamics simulations
-
Ceriotti M, Bussi G and Parrinello M 2009 Langevin equation with colored noise for constant-temperature molecular dynamics simulations Phys. Rev. Lett. 102 020601
-
(2009)
Phys. Rev. Lett.
, vol.102
-
-
Ceriotti, M.1
Bussi, G.2
Parrinello, M.3
-
27
-
-
36449007836
-
Constant pressure molecular dynamics simulation: The langevin piston method
-
Feller S E, Zhang I, Pastor R W and Brooks B R 1995 Constant pressure molecular dynamics simulation: the langevin piston method J. Chem. Phys. 103 461321
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4613-4621
-
-
Feller, S.E.1
Zhang, I.2
Pastor, R.W.3
Brooks, B.R.4
-
29
-
-
0035844532
-
Method for computing the anisotropy of the solid-liquid interfacial free energy
-
DOI 10.1103/PhysRevLett.86.5530
-
Hoyt J J, Asta M and Karma A 2001 Method for computing the anisotropy of the solidliquid interfacial free energy Phys. Rev. Lett. 86 55303 (Pubitemid 32548958)
-
(2001)
Physical Review Letters
, vol.86
, Issue.24
, pp. 5530-5533
-
-
Hoyt, J.J.1
Asta, M.2
Karma, A.3
-
30
-
-
0036611771
-
Atomistic computation of liquid diffusivity, solidliquid interfacial free energy, and kinetic coefficient in Au and Ag
-
Hoyt J J and Asta M 2002 Atomistic computation of liquid diffusivity, solidliquid interfacial free energy, and kinetic coefficient in Au and Ag Phys. Rev. B 65 214106
-
(2002)
Phys. Rev.
, vol.65
-
-
Hoyt, J.J.1
Asta, M.2
-
31
-
-
34548702453
-
Melting line of the Lennard-Jones system, infinite size, and full potential
-
Mastny E A and de Pablo J J 2007 Melting line of the Lennard-Jones system, infinite size, and full potential J. Chem. Phys. 127 104504
-
(2007)
J. Chem. Phys.
, vol.127
-
-
Mastny, E.A.1
De Pablo, J.J.2
-
33
-
-
0035880894
-
The solid-liquid interfacial free energy of close-packed metals: Hard-spheres and the turnbull coefficient
-
DOI 10.1063/1.1391481
-
Laird B B 2001 The solidliquid interfacial free energy of close-packed metals: hard-spheres and the turnbull coefficient J. Chem. Phys. 115 28878 (Pubitemid 32796727)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.7
, pp. 2887-2888
-
-
Laird, B.B.1
-
36
-
-
69349100797
-
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
-
Bonomi M, Branduardi D, Bussi G, Camilloni C, Provasi D, Raiteri P, Donadio D, Marinelli F, Pietrucci F and Broglia R A 2009 PLUMED: a portable plugin for free-energy calculations with molecular dynamics Comput. Phys. Commun. 180 196172
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 1961-1972
-
-
Bonomi, M.1
Branduardi, D.2
Bussi, G.3
Camilloni, C.4
Provasi, D.5
Raiteri, P.6
Donadio, D.7
Marinelli, F.8
Pietrucci, F.9
Broglia, R.A.10
-
38
-
-
0021069813
-
Energetics of solid/liquid interfaces of metals and alloys
-
Eustathopoulos N 1983 Energetic of solid/liquid interfaces of metals and alloys Int. Met. Rev. 28 18920 (Pubitemid 14450227)
-
(1983)
International metals reviews
, vol.28
, Issue.4
, pp. 189-120
-
-
Eustathopoulos, N.1
-
39
-
-
0037141321
-
Nucleation and bulk crystallization in binary phase field theory
-
Grnsy L, Brzsnyi T and Pusztai T 2002 Nucleation and bulk crystallization in binary phase field theory Phys. Rev. Lett. 88 206105
-
(2002)
Phys. Rev. Lett.
, vol.88
-
-
Grnsy, L.1
Brzsnyi, T.2
Pusztai, T.3
-
41
-
-
0141507002
-
Atomistic and continuum modeling of dendritic solidification
-
Hoyt J J, Asta M and Karma A 2003 Atomistic and continuum modeling of dendritic solidification Mater. Sci. Eng. Rep. 41 12163
-
(2003)
Mater. Sci. Eng. Rep.
, vol.41
, pp. 121-163
-
-
Hoyt, J.J.1
Asta, M.2
Karma, A.3
-
42
-
-
34047127421
-
Generalized neural-network representation of high-dimensional potential-energy surfaces
-
Behler J and Parrinello M 2007 Generalized neural-network representation of high-dimensional potential-energy surfaces Phys. Rev. Lett. 98 146401
-
(2007)
Phys. Rev. Lett.
, vol.98
-
-
Behler, J.1
Parrinello, M.2
-
43
-
-
77950441864
-
Gaussian approximation potentials: The accuracy of quantum mechanics, without the electrons
-
Bartk A P, Payne M C, Kondor R and Csnyi G 2010 Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons Phys. Rev. Lett. 104 136403
-
(2010)
Phys. Rev. Lett.
, vol.104
-
-
Bartk, A.P.1
Payne, M.C.2
Kondor, R.3
Csnyi, G.4
-
44
-
-
10644250257
-
Inhomogeneous electron gas
-
Hohenberg P and Kohn W 1964 Inhomogeneous electron gas Phys. Rev. 136 B86471
-
(1964)
Phys. Rev.
, vol.136
, Issue.3 B
-
-
Hohenberg, P.1
Kohn, W.2
-
45
-
-
62549106212
-
Temperature of the inner-core boundary of the earth: Melting of iron at high pressure from first-principles coexistence simulations
-
Alf̀ D 2009 Temperature of the inner-core boundary of the earth: melting of iron at high pressure from first-principles coexistence simulations Phys. Rev. B 79 060101
-
(2009)
Phys. Rev.
, vol.79
-
-
Alf̀, D.1
-
46
-
-
3843060308
-
Theory of nonuniform electronic systems.1. Analysis of the gradient approximation and a generalization that works
-
Langreth D C and Perdew J P 1980 Theory of nonuniform electronic systems.1. Analysis of the gradient approximation and a generalization that works Phys. Rev. B 21 546993
-
(1980)
Phys. Rev.
, vol.21
, pp. 5469-5493
-
-
Langreth, D.C.1
Perdew, J.P.2
-
47
-
-
18144378706
-
Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation
-
Perdew J P and Wang Y 1986 Accurate and simple density functional for the electronic exchange energy: generalized gradient approximation Phys. Rev. B 33 88002
-
(1986)
Phys. Rev.
, vol.33
, pp. 8800-8802
-
-
Perdew, J.P.1
Wang, Y.2
-
48
-
-
33846891132
-
Efficient and accurate car-Parrinello-like approach to Born-Oppenheimer molecular dynamics
-
Khne T D, Krack M, Mohamed F R and Parrinello M 2007 Efficient and accurate car-Parrinello-like approach to Born-Oppenheimer molecular dynamics Phys. Rev. Lett. 98 066401
-
(2007)
Phys. Rev. Lett.
, vol.98
-
-
Khne, T.D.1
Krack, M.2
Mohamed, F.R.3
Parrinello, M.4
|